4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine

C15H23N3O3 — CID 114697240

IUPAC4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1cccc(NC2(C)CCNCC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-11-21-13-6-4-5-12(14(13)18(19)20)17-15(2)7-9-16-10-8-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeyOTDZYJPUWOKCKC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.94
Rot. Bonds6

About 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine

4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine (PubChem CID 114697240) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine
PubChem CID114697240
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1cccc(NC2(C)CCNCC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-11-21-13-6-4-5-12(14(13)18(19)20)17-15(2)7-9-16-10-8-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeyOTDZYJPUWOKCKC-UHFFFAOYSA-N
XLogP2.94
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-3-propoxy-N-[1-(trifluoromethyl)cyclopropyl]aniline
CID 106215147
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CID 114696949
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114697177
3-hexoxy-N-methyl-2-nitroaniline
CID 80860852
2-nitro-N-pent-3-ynyl-3-propoxyaniline
CID 116644435
N-ethyl-3-heptoxy-2-nitroaniline
CID 80861681
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
3-(2-cyclopropylethoxy)-2-nitro-N-propylaniline
CID 106207575
2-nitro-1,3-dioctoxybenzene
CID 537243
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-nitro-3-propoxyaniline
CID 106373842
3-[3-(dimethylamino)propoxy]-N-ethyl-2-nitroaniline
CID 80871733
(3R)-3-methyl-1-(2-nitro-3-propoxyphenyl)piperazine
CID 104976168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine?
The IUPAC name of 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine (CID 114697240) is 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine?
The canonical SMILES for 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine is CCCOc1cccc(NC2(C)CCNCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine?
The InChIKey is OTDZYJPUWOKCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-11-21-13-6-4-5-12(14(13)18(19)20)17-15(2)7-9-16-10-8-15/h4-6,16-17H,3,7-11H2,1-2H3.
What are the key properties of 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine?
4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 114697240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).